3ENH

Crystal structure of Cgi121/Bud32/Kae1 complex


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 2K8YARCHEAL CGI121 AND ARCHEAL KAE1/BUD32 STRUCTURES
experimental modelPDB 3EN9ARCHEAL CGI121 AND ARCHEAL KAE1/BUD32 STRUCTURES

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.52930.1 M MES and 10-15% PEG 3000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.7655.36

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 76.99α = 90
b = 106.91β = 90
c = 209.48γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 315MIRRORS2007-02-23MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 24-ID-CAPS24-ID-C

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
13.6208.8499.80.07470.074711.961.86205653.21
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
13.63.70.21710.21713.41.91582

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTARCHEAL CGI121 AND ARCHEAL KAE1/BUD32 STRUCTURES3.694.922060819689105299.970.273710.271090.3241RANDOM103.972
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
-12.948.774.17
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg40.467
r_dihedral_angle_3_deg20.91
r_dihedral_angle_4_deg17.381
r_dihedral_angle_1_deg5.726
r_angle_refined_deg1.369
r_scangle_it0.671
r_scbond_it0.372
r_mcangle_it0.293
r_mcbond_it0.151
r_chiral_restr0.078
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg40.467
r_dihedral_angle_3_deg20.91
r_dihedral_angle_4_deg17.381
r_dihedral_angle_1_deg5.726
r_angle_refined_deg1.369
r_scangle_it0.671
r_scbond_it0.372
r_mcangle_it0.293
r_mcbond_it0.151
r_chiral_restr0.078
r_bond_refined_d0.047
r_gen_planes_refined0.003
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9998
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms144

Software

Software
Software NamePurpose
CBASSdata collection
PHASERphasing
REFMACrefinement
XDSdata reduction
XDSdata scaling